Geometry & MOs

Info

ID:	257818
PubChem CID:	103148716
Reduced:	NOF5C14H18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	308.182396
ΔH_f, kcal/mol:	-284.96
Dipole, Da:	5.1
IP(EA), eV:	-9.48(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-1,2,4-triazol-3-yl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)C1=C(C(=CC=C1)F)F

DOS

IR

Vibrations